SCHEMBL6074070

SCHEMBL6074070

O=C1CCN(c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
RECQL P46063 1/20 0.52
LMNA P02545 3/20 0.51
USP2 O75604 1/20 0.51
GFER P55789 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 1/20 0.49
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6074894 0.84 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL6074068 0.83 CES1 (0.61) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL28751618 0.83 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL5539062 0.82 CA12 (0.54) MAPTLMNASMN1; SMN2CA2CA9
SCHEMBL14601685 0.80 MEN1 (0.65) MAPTALDH1A1KMT2AMEN1DRD3
SCHEMBL6074493 0.80 KMT2A (0.75) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL6074374 0.80 POLB (0.59) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL6074530 0.80 ALDH1A1 (0.52) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL6073863 0.79 GFER (0.77) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL6074750 0.79 LMNA (0.69) MAPTALDH1A1KMT2AMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885ALDH1A1 1091/4885KMT2A 3638/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885ALDH1A1 1091/4885KMT2A 3638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.